SCHEMBL8625320

SCHEMBL8625320

O=S(=O)(O)CC1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 4/20 0.51
GPR119 Q8TDV5 2/20 0.51
SMO Q99835 2/20 0.49
LMNA P02545 1/20 0.48
SORD Q00796 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PLD1 Q13393 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28416743 0.92 KDM4E (0.48) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL8329851 0.92 KDM4E (0.48) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL8320670 0.82 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10GPR119
Ammonia Solution, Strong SCHEMBL4429607 0.82 KDM4E (0.55) KDM4EALDH1A1MAPTHSD17B10GPR119
Methane SCHEMBL8625321 0.81 GPR119 (0.54) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL8326977 0.80 PLD1 (0.57) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL13622621 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10GPR119L3MBTL1
SCHEMBL4764379 0.77 PLD1 (0.53) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL1145748 0.77 PLD1 (0.53) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL26627827 0.77 PLD1 (0.53) KDM4EALDH1A1MAPTHSD17B10GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801173-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-09-01 US disclosed